CID 28064549

1255718-19-4

Structural Information

Molecular Formula
C8H13N3
SMILES
CC1=CC(=NN1C2CNC2)C
InChI
InChI=1S/C8H13N3/c1-6-3-7(2)11(10-6)8-4-9-5-8/h3,8-9H,4-5H2,1-2H3
InChIKey
JNIGJXJBRHGJBY-UHFFFAOYSA-N
Compound name
1-(azetidin-3-yl)-3,5-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

151.11095 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.118226 131.3
[M+Na]+ 174.100168 138.9
[M-H]- 150.103674 132.9
[M+NH4]+ 169.144773 143.5
[M+K]+ 190.074108 139.2
[M+H-H2O]+ 134.108210 118.9
[M+HCOO]- 196.109151 149.8
[M+CH3COO]- 210.124801 178.0
[M+Na-2H]- 172.085616 135.1
[M]+ 151.11040142 137.8
[M]- 151.11149858 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe